![1,3-BIS-[1-METHYL-1-(AMINOCARBONYL-6-TRIDECYL-ISOCYTOSINE)-ETHYL]-BENZENE](/api/spectrum/7suCvEvmMhi/structure.png?h=300&w=458 "1,3-BIS-[1-METHYL-1-(AMINOCARBONYL-6-TRIDECYL-ISOCYTOSINE)-ETHYL]-BENZENE")
| SpectraBase Compound ID | LkCoxZc2Hd4 |
|---|---|
| InChI | InChI=1S/2C48H78N8O4/c2*1-7-9-11-13-15-17-19-21-23-25-27-32-39-35-41(57)51-43(49-39)53-45(59)55-47(3,4)37-30-29-31-38(34-37)48(5,6)56-46(60)54-44-50-40(36-42(58)52-44)33-28-26-24-22-20-18-16-14-12-10-8-2/h2*29-31,34-36H,7-28,32-33H2,1-6H3,(H3,49,51,53,55,57,59)(H3,50,52,54,56,58,60) |
| InChIKey | HBLMJVZITLUIQR-UHFFFAOYSA-N |
| Mol Weight | 1662.4 g/mol |
| Molecular Formula | C96H156N16O8 |
| Exact Mass | 1661.229206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7suCvEvmMhi |
|---|---|
| Name | 1,3-BIS-[1-METHYL-1-(AMINOCARBONYL-6-TRIDECYL-ISOCYTOSINE)-ETHYL]-BENZENE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H156N16O8 |
| InChI | InChI=1S/2C48H78N8O4/c2*1-7-9-11-13-15-17-19-21-23-25-27-32-39-35-41(57)51-43(49-39)53-45(59)55-47(3,4)37-30-29-31-38(34-37)48(5,6)56-46(60)54-44-50-40(36-42(58)52-44)33-28-26-24-22-20-18-16-14-12-10-8-2/h2*29-31,34-36H,7-28,32-33H2,1-6H3,(H3,49,51,53,55,57,59)(H3,50,52,54,56,58,60) |
| InChIKey | HBLMJVZITLUIQR-UHFFFAOYSA-N |
| Literature Reference Author | S.H.M.SOENTJENS,M.H.P.V.GENDEREN,R.P.SIJBESMA |
| Literature Reference Citation | J.ORG.CHEM.,68,9070(2003) |
| Literature Reference DOI | 10.1021/jo034889o |
| Molecular Weight | 1662.397 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25709 |